(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C26H24F6N2O — CID 154488411

IUPAC(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESCc1ccccc1CN1CC(c2cccc(C(F)(F)F)c2)N(C[C@@H](O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H24F6N2O/c1-17-7-2-3-8-19(17)14-33-15-23(18-9-6-10-20(13-18)25(27,28)29)34(16-24(35)26(30,31)32)22-12-5-4-11-21(22)33/h2-13,23-24,35H,14-16H2,1H3/t23?,24-/m1/s1
InChIKeyHEPBOBVATCWUEH-XMMISQBUSA-N
MW494.48 g/mol
LogP6.50
Rot. Bonds5

About (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 154488411) has the molecular formula C26H24F6N2O and a molecular weight of 494.48 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
PubChem CID154488411
Molecular FormulaC26H24F6N2O
Molecular Weight494.48 g/mol
Exact Mass494.18
IUPAC Name(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESCc1ccccc1CN1CC(c2cccc(C(F)(F)F)c2)N(C[C@@H](O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C26H24F6N2O/c1-17-7-2-3-8-19(17)14-33-15-23(18-9-6-10-20(13-18)25(27,28)29)34(16-24(35)26(30,31)32)22-12-5-4-11-21(22)33/h2-13,23-24,35H,14-16H2,1H3/t23?,24-/m1/s1
InChIKeyHEPBOBVATCWUEH-XMMISQBUSA-N
XLogP6.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 154488411) is (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is Cc1ccccc1CN1CC(c2cccc(C(F)(F)F)c2)N(C[C@@H](O)C(F)(F)F)c2ccccc21.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The InChIKey is HEPBOBVATCWUEH-XMMISQBUSA-N. The full InChI is InChI=1S/C26H24F6N2O/c1-17-7-2-3-8-19(17)14-33-15-23(18-9-6-10-20(13-18)25(27,28)29)34(16-24(35)26(30,31)32)22-12-5-4-11-21(22)33/h2-13,23-24,35H,14-16H2,1H3/t23?,24-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 494.48 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[4-[(2-methylphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 154488411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).